input word = C00049712

Metabolite InformationStructural formula
Name Brassicolide
(+)-Brassicolide
Formula C20H30O3
Mw 318.21949482
CAS RN 249731-33-7
C_ID C00049712 ,
InChIKey VIPUZYFCPBOJJF-NWCYQBGUNA-N
InChICode InChI=1S/C20H30O3/c1-14-7-5-8-15(2)11-12-17(20(3,4)22)18-13-16(10-6-9-14)19(21)23-18/h8-9,13,17-18,22H,5-7,10-12H2,1-4H3/b14-9+,15-8+/t17-,18-/m0/s1
SMILES C1C/C=C(/CC/C=C(/CC[C@@H]([C@H]2OC(=O)C1=C2)C(C)(O)C)\C)\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Nephthea brassica Ref.
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